tert-butyl 2-[(4-butyl-2-methyl-phenyl)carbamothioyl-methyl-amino]ethanoate

Systemtic Name: tert-butyl 2-[(4-butyl-2-methyl-phenyl)carbamothioyl-methyl-amino]ethanoate Openeye Name: tert-butyl 2-[(4-butyl-2-methyl-phenyl)carbamothioyl-methyl-amino]acetate CAS Name: 2-[[(4-butyl-2-methylanilino)-sulfanylidenemethyl]-methylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(4-butyl-2-methylphenyl)carbamothioyl-methylamino]acetate Traditional Name: 2-[(4-butyl-2-methyl-phenyl)thiocarbamoyl-methyl-amino]acetic acid tert-butyl ester Formula: C19H30N2O2S MolecularWeight: 350.5187

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)NC(=S)N(C)CC(=O)OC(C)(C)C)C

Isomeric SMILES

CCCCC1=CC(=C(C=C1)NC(=S)N(C)CC(=O)OC(C)(C)C)C

InChI

InChI=1S/C19H30N2O2S/c1-7-8-9-15-10-11-16(14(2)12-15)20-18(24)21(6)13-17(22)23-19(3,4)5/h10-12H,7-9,13H2,1-6H3,(H,20,24)